N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine

C22H25N3 — CID 159589094

IUPACN-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CNCCNCc2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C22H25N3/c1-18-5-7-19(8-6-18)16-23-14-15-24-17-20-9-11-21(12-10-20)22-4-2-3-13-25-22/h2-13,23-24H,14-17H2,1H3
InChIKeyJUCAVOSDMDNBAR-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.94
Rot. Bonds8

About N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine

N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine (PubChem CID 159589094) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine
PubChem CID159589094
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC NameN-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CNCCNCc2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C22H25N3/c1-18-5-7-19(8-6-18)16-23-14-15-24-17-20-9-11-21(12-10-20)22-4-2-3-13-25-22/h2-13,23-24H,14-17H2,1H3
InChIKeyJUCAVOSDMDNBAR-UHFFFAOYSA-N
XLogP3.94
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)pyridine;silver
CID 121395993
2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine
CID 175312241
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(4-pyridin-2-ylphenyl)methanamine
CID 131899021
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 44782427
2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide
CID 110478301
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine
CID 157457536
ethane;2-(4-propylphenyl)pyridine
CID 158701503
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943
trimethyl-[2-(4-pyridin-2-ylphenyl)ethyl]silane
CID 162513339
2-[4-(1-deuteriopropyl)phenyl]pyridine
CID 163281838

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine (CID 159589094) is N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine is Cc1ccc(CNCCNCc2ccc(-c3ccccn3)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is JUCAVOSDMDNBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-18-5-7-19(8-6-18)16-23-14-15-24-17-20-9-11-21(12-10-20)22-4-2-3-13-25-22/h2-13,23-24H,14-17H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine?
N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 331.46 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 159589094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).